Back to Search
Molecule
7Α-Hydroxy-Dhea
CAS: 53-00-9 · C19H28O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 53-00-9
- Molecular Formula
- C19H28O3
- Molecular Mass
- 304.43 g/mol
Identifiers
CAS Registry Number
53-00-9
SMILES
C[C@]12CC[C@H](O)CC1=C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
InChI Key
OLPSAOWBSPXZEA-JIEICEMKSA-N
InChI
InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-15,17,20-21H,3-9H2,1-2H3/t12-,13-,14-,15+,17-,18-,19-/m0/s1
Names and Synonyms
- 7Α-Hydroxy-Dhea Synonym
- Androst-5-en-17-one, 3,7-dihydroxy-, (3β,7α)- Synonym
- Androst-5-en-17-one, 3β,7α-dihydroxy- Synonym
- (3β,7α)-3,7-Dihydroxyandrost-5-en-17-one Synonym
- 7α-Hydroxydehydroepiandrosterone Synonym
- 3β,7α-Dihydroxy-5-androsten-17-one Synonym
- 3β,7α-Dihydroxy-5-androstene-17-one Synonym
- 7α-Hydroxydehydroisoandrosterone Synonym
- (-)-7α-Hydroxydehydroepiandrosterone Synonym
- 7-α-OH-DHEA Synonym
- 7α-Hydroxy-DHEA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 304.43 g/mol | CAS Common Chemistry |
| 304.43000000000006 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/7%CE%B1-Hydroxy-DHEA | CAS Common Chemistry |
| Canonical SMILES | O=C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C | CAS Common Chemistry |
| InChI | InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-15,17,20-21H,3-9H2,1-2H3/t12-,13-,14-,15+,17-,18-,19-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OLPSAOWBSPXZEA-JIEICEMKSA-N | CAS Common Chemistry |
| Melting Point | 181.5-183.5 °C @ Solvent: Acetone | CAS Common Chemistry |
| Name | 7α-Hydroxy-DHEA | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 2.8500000000000014 | RDKit |
| 2.85 | RDKit | |
| Molar Refractivity | 84.10660000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8421 | RDKit |
| 0.84 | chempirical lib | |
| Exact Mass | 304.20384475599997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 304.43 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H28O3.
